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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	G-protein coupled receptor 55
Species	Homo sapiens (Human)
Gene	GPR55
Synonym	GPR55
Disease	N/A
Length	319
Amino acid sequence	MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProt	Q9Y2T6
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y2T6
3D structure model	This predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075322
IUPHAR	109
DrugBank	BE0005802

Ligand

Name	7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
Molecular formula	C7H5ClN4O3
IUPAC name	7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
Molecular weight	228.592
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.2
Synonyms	SMR000285240 AC1MIXRB HMS2640N19 STL040633 (7-Chloro-4-nitro-benzo[1,2,5]oxadiazol-5-yl)-methyl-amine BDBM54818 MolPort-000-771-073 7-chloranyl-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine CHEMBL1585390 SR-01000597182 AKOS000606693 MCULE-4885184686 ZINC4894752 332164-07-5 C7H5ClN4O3 REGID_for_CID_3128197 cid_3128197 SR-01000597182-1 (7-chloro-4-nitro-benzofurazan-5-yl)-methyl-amine BAS 01237148 MLS000678355 [ Show all ]
Inchi Key	BPSVRTPLRKLEPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H5ClN4O3/c1-9-4-2-3(8)5-6(11-15-10-5)7(4)12(13)14/h2,9H,1H3
PubChem CID	3128197
ChEMBL	CHEMBL1585390
IUPHAR	N/A
BindingDB	54818
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1113.43 nM	N/A	BindingDB
IC50	1113.43 nM	PubChem BioAssay data set	ChEMBL

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